Magnesium in PDB 3oxd: Crystal Structure of Glycine Riboswitch with Two Mutations
Protein crystallography data
The structure of Crystal Structure of Glycine Riboswitch with Two Mutations, PDB code: 3oxd
was solved by
L.Huang,
A.Serganov,
D.J.Patel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
3.00
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
83.969,
83.969,
199.998,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19.6 /
21.4
|
Magnesium Binding Sites:
Magnesium binding site 1 out
of 34 in 3oxd
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Magnesium Binding Sites List in 3oxd
Magnesium binding site 1 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg101
b:0.2
occ:1.00
|
O
|
A:HOH143
|
2.2
|
90.1
|
1.0
|
O
|
A:HOH141
|
2.2
|
89.7
|
1.0
|
O
|
A:HOH139
|
2.2
|
90.0
|
1.0
|
O
|
A:HOH140
|
2.2
|
90.0
|
1.0
|
O
|
A:HOH138
|
2.2
|
89.7
|
1.0
|
O
|
A:HOH142
|
2.2
|
89.8
|
1.0
|
OP1
|
A:A34
|
3.7
|
74.9
|
1.0
|
OP2
|
A:C35
|
3.8
|
79.7
|
1.0
|
N7
|
A:G36
|
4.3
|
77.3
|
1.0
|
O6
|
A:G36
|
4.5
|
75.9
|
1.0
|
N6
|
A:A37
|
4.7
|
71.7
|
1.0
|
|
Magnesium binding site 2 out
of 34 in 3oxd
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Magnesium Binding Sites List in 3oxd
Magnesium binding site 2 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg103
b:0.5
occ:1.00
|
OP2
|
A:A75
|
2.8
|
76.2
|
1.0
|
OP1
|
A:A22
|
3.2
|
67.2
|
1.0
|
P
|
A:A75
|
3.7
|
75.3
|
1.0
|
OP1
|
A:A75
|
3.7
|
75.6
|
1.0
|
O3'
|
A:A21
|
4.1
|
65.6
|
1.0
|
P
|
A:A22
|
4.3
|
67.4
|
1.0
|
N7
|
A:A75
|
4.5
|
76.7
|
1.0
|
OP2
|
A:C74
|
4.6
|
75.2
|
1.0
|
OP1
|
A:C74
|
4.6
|
73.8
|
1.0
|
O3'
|
A:C74
|
4.6
|
74.7
|
1.0
|
C8
|
A:A75
|
4.6
|
76.4
|
1.0
|
C3'
|
A:C74
|
4.7
|
74.0
|
1.0
|
P
|
A:C74
|
4.8
|
74.4
|
1.0
|
O5'
|
A:C74
|
4.8
|
74.4
|
1.0
|
|
Magnesium binding site 3 out
of 34 in 3oxd
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Magnesium Binding Sites List in 3oxd
Magnesium binding site 3 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg104
b:92.3
occ:1.00
|
OP2
|
A:A76
|
2.1
|
76.6
|
1.0
|
OP1
|
A:A75
|
2.7
|
75.6
|
1.0
|
O5'
|
A:A75
|
3.4
|
74.7
|
1.0
|
P
|
A:A76
|
3.5
|
76.5
|
1.0
|
P
|
A:A75
|
3.7
|
75.3
|
1.0
|
OP1
|
A:C74
|
3.7
|
73.8
|
1.0
|
N6
|
A:A78
|
3.9
|
75.2
|
1.0
|
C5'
|
A:C74
|
4.2
|
73.4
|
1.0
|
O5'
|
A:A76
|
4.2
|
77.2
|
1.0
|
N7
|
A:A77
|
4.3
|
78.2
|
1.0
|
N6
|
A:A77
|
4.4
|
78.8
|
1.0
|
N7
|
A:A76
|
4.4
|
78.7
|
1.0
|
OP1
|
A:A76
|
4.4
|
76.0
|
1.0
|
O3'
|
A:A75
|
4.5
|
76.0
|
1.0
|
C3'
|
A:A75
|
4.5
|
75.5
|
1.0
|
O3'
|
A:C74
|
4.5
|
74.7
|
1.0
|
C5'
|
A:A75
|
4.6
|
75.2
|
1.0
|
C8
|
A:A76
|
4.7
|
78.2
|
1.0
|
C6
|
A:A78
|
4.7
|
75.7
|
1.0
|
OP2
|
A:A75
|
4.9
|
76.2
|
1.0
|
P
|
A:C74
|
4.9
|
74.4
|
1.0
|
O5'
|
A:C74
|
4.9
|
74.4
|
1.0
|
C4'
|
A:C74
|
4.9
|
73.5
|
1.0
|
|
Magnesium binding site 4 out
of 34 in 3oxd
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Magnesium Binding Sites List in 3oxd
Magnesium binding site 4 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg105
b:0.3
occ:1.00
|
N7
|
A:G72
|
3.9
|
78.0
|
1.0
|
OP2
|
A:A71
|
3.9
|
87.1
|
1.0
|
O6
|
A:G72
|
4.3
|
76.6
|
1.0
|
OP2
|
A:G72
|
4.5
|
83.2
|
1.0
|
O6
|
A:G73
|
4.5
|
75.5
|
1.0
|
C5
|
A:G72
|
4.7
|
76.5
|
1.0
|
P
|
A:A71
|
4.7
|
88.2
|
1.0
|
C8
|
A:G72
|
4.8
|
78.0
|
1.0
|
N7
|
A:G73
|
4.8
|
73.8
|
1.0
|
O5'
|
A:A71
|
4.8
|
86.3
|
1.0
|
C6
|
A:G72
|
4.8
|
75.8
|
1.0
|
OP1
|
A:A71
|
5.0
|
90.0
|
1.0
|
|
Magnesium binding site 5 out
of 34 in 3oxd
Go back to
Magnesium Binding Sites List in 3oxd
Magnesium binding site 5 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg106
b:90.8
occ:1.00
|
O
|
A:HOH145
|
2.2
|
67.3
|
1.0
|
O
|
B:HOH137
|
2.2
|
67.7
|
1.0
|
O
|
B:HOH139
|
2.2
|
67.1
|
1.0
|
O
|
A:HOH144
|
2.2
|
67.0
|
1.0
|
O
|
B:HOH140
|
2.2
|
67.2
|
1.0
|
O
|
B:HOH138
|
2.2
|
67.2
|
1.0
|
OP1
|
B:A33
|
4.2
|
59.9
|
1.0
|
O
|
B:HOH156
|
4.3
|
58.4
|
1.0
|
OP1
|
A:C66
|
4.3
|
59.1
|
1.0
|
O4'
|
B:A65
|
4.4
|
60.0
|
1.0
|
N7
|
B:A33
|
4.5
|
55.4
|
1.0
|
C4'
|
B:A65
|
4.5
|
60.0
|
1.0
|
N3
|
A:A65
|
4.6
|
58.6
|
1.0
|
C1'
|
A:A65
|
4.7
|
58.7
|
1.0
|
C8
|
B:A33
|
4.7
|
55.9
|
1.0
|
C2
|
B:A81
|
4.8
|
58.0
|
1.0
|
C1'
|
B:A65
|
4.9
|
60.0
|
1.0
|
O3'
|
B:A65
|
4.9
|
60.1
|
1.0
|
O
|
B:HOH159
|
4.9
|
58.8
|
1.0
|
O2'
|
A:A65
|
4.9
|
60.1
|
1.0
|
|
Magnesium binding site 6 out
of 34 in 3oxd
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Magnesium Binding Sites List in 3oxd
Magnesium binding site 6 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg109
b:73.9
occ:1.00
|
O
|
A:HOH148
|
2.2
|
31.3
|
1.0
|
O
|
A:HOH149
|
2.2
|
30.6
|
1.0
|
O
|
A:HOH151
|
2.2
|
31.5
|
1.0
|
O
|
A:HOH146
|
2.2
|
31.3
|
1.0
|
O
|
A:HOH147
|
2.2
|
31.1
|
1.0
|
O
|
A:HOH150
|
2.2
|
31.1
|
1.0
|
O6
|
A:G47
|
3.9
|
79.9
|
1.0
|
O4
|
A:U46
|
3.9
|
77.6
|
1.0
|
N4
|
A:C48
|
4.2
|
79.9
|
1.0
|
O6
|
A:G55
|
4.3
|
76.1
|
1.0
|
N4
|
A:C54
|
4.6
|
73.4
|
1.0
|
C4
|
A:U46
|
4.7
|
79.7
|
1.0
|
C5
|
A:U46
|
4.9
|
81.5
|
1.0
|
C6
|
A:G47
|
5.0
|
82.0
|
1.0
|
|
Magnesium binding site 7 out
of 34 in 3oxd
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Magnesium Binding Sites List in 3oxd
Magnesium binding site 7 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg110
b:65.9
occ:1.00
|
OP2
|
A:A21
|
2.0
|
66.9
|
1.0
|
O
|
A:HOH155
|
2.2
|
31.6
|
1.0
|
O
|
A:HOH156
|
2.2
|
31.9
|
1.0
|
O
|
A:HOH153
|
2.2
|
32.1
|
1.0
|
O
|
A:HOH152
|
2.2
|
31.8
|
1.0
|
O
|
A:HOH154
|
2.2
|
32.3
|
1.0
|
P
|
A:A21
|
3.5
|
65.6
|
1.0
|
O5'
|
A:A21
|
4.0
|
64.1
|
1.0
|
O
|
A:HOH167
|
4.1
|
47.7
|
1.0
|
N7
|
A:A22
|
4.2
|
68.2
|
1.0
|
O4
|
A:U23
|
4.3
|
71.9
|
1.0
|
OP1
|
A:A21
|
4.4
|
66.1
|
1.0
|
C5'
|
A:U20
|
4.4
|
70.5
|
1.0
|
O3'
|
A:U20
|
4.4
|
65.9
|
1.0
|
C3'
|
A:U20
|
4.4
|
66.3
|
1.0
|
N7
|
A:A21
|
4.4
|
62.6
|
1.0
|
N6
|
A:A22
|
4.5
|
70.6
|
1.0
|
C8
|
A:A21
|
4.7
|
62.3
|
1.0
|
O2
|
A:U19
|
4.8
|
86.2
|
1.0
|
O5'
|
A:U20
|
4.9
|
73.5
|
1.0
|
|
Magnesium binding site 8 out
of 34 in 3oxd
Go back to
Magnesium Binding Sites List in 3oxd
Magnesium binding site 8 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg111
b:79.2
occ:1.00
|
O
|
A:HOH160
|
2.2
|
39.4
|
1.0
|
O
|
A:HOH161
|
2.2
|
39.3
|
1.0
|
O
|
A:HOH159
|
2.2
|
39.4
|
1.0
|
O
|
A:HOH158
|
2.2
|
39.6
|
1.0
|
O
|
A:HOH162
|
2.2
|
39.4
|
1.0
|
O
|
A:HOH157
|
2.2
|
39.4
|
1.0
|
N7
|
A:G25
|
4.1
|
91.5
|
1.0
|
N7
|
A:G26
|
4.2
|
0.5
|
1.0
|
O6
|
A:G26
|
4.4
|
96.8
|
1.0
|
C5
|
A:C24
|
4.7
|
78.7
|
1.0
|
N4
|
A:C24
|
4.7
|
78.0
|
1.0
|
O6
|
A:G25
|
4.7
|
89.2
|
1.0
|
C4
|
A:C24
|
4.8
|
79.1
|
1.0
|
C8
|
A:G25
|
4.9
|
93.1
|
1.0
|
C5
|
A:G25
|
4.9
|
92.3
|
1.0
|
|
Magnesium binding site 9 out
of 34 in 3oxd
Go back to
Magnesium Binding Sites List in 3oxd
Magnesium binding site 9 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg112
b:81.7
occ:1.00
|
O
|
A:HOH163
|
2.2
|
48.0
|
1.0
|
O
|
A:HOH167
|
2.2
|
47.7
|
1.0
|
O
|
A:HOH165
|
2.2
|
47.6
|
1.0
|
O
|
A:HOH166
|
2.2
|
47.5
|
1.0
|
O
|
A:HOH164
|
2.2
|
47.9
|
1.0
|
OP2
|
A:U20
|
2.5
|
77.0
|
1.0
|
O5'
|
A:U20
|
3.0
|
73.5
|
1.0
|
P
|
A:U20
|
3.2
|
76.4
|
1.0
|
O3'
|
A:U19
|
3.5
|
79.1
|
1.0
|
OP1
|
A:A21
|
3.8
|
66.1
|
1.0
|
O2'
|
A:U19
|
4.3
|
82.4
|
1.0
|
C5'
|
A:U20
|
4.4
|
70.5
|
1.0
|
O3'
|
A:U20
|
4.4
|
65.9
|
1.0
|
C3'
|
A:U19
|
4.5
|
82.4
|
1.0
|
P
|
A:A21
|
4.5
|
65.6
|
1.0
|
OP1
|
A:U20
|
4.6
|
76.2
|
1.0
|
OP2
|
A:C15
|
4.6
|
82.0
|
1.0
|
OP2
|
A:A21
|
4.7
|
66.9
|
1.0
|
C4'
|
A:U20
|
4.9
|
67.5
|
1.0
|
|
Magnesium binding site 10 out
of 34 in 3oxd
Go back to
Magnesium Binding Sites List in 3oxd
Magnesium binding site 10 out
of 34 in the Crystal Structure of Glycine Riboswitch with Two Mutations
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Crystal Structure of Glycine Riboswitch with Two Mutations within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg113
b:84.1
occ:1.00
|
O
|
B:HOH145
|
2.2
|
53.0
|
1.0
|
O
|
B:HOH142
|
2.2
|
52.2
|
1.0
|
O
|
B:HOH141
|
2.2
|
53.0
|
1.0
|
O
|
B:HOH144
|
2.2
|
52.8
|
1.0
|
O
|
B:HOH143
|
2.2
|
52.9
|
1.0
|
N7
|
B:G62
|
2.4
|
83.9
|
1.0
|
C8
|
B:G62
|
3.3
|
84.0
|
1.0
|
C5
|
B:G62
|
3.4
|
83.3
|
1.0
|
OP2
|
B:C39
|
3.6
|
80.9
|
1.0
|
O6
|
B:G62
|
3.6
|
83.1
|
1.0
|
C6
|
B:G62
|
3.9
|
82.9
|
1.0
|
N9
|
B:G62
|
4.5
|
83.7
|
1.0
|
C4
|
B:G62
|
4.5
|
83.2
|
1.0
|
OP2
|
B:G62
|
4.6
|
91.4
|
1.0
|
P
|
B:C39
|
4.6
|
81.2
|
1.0
|
OP2
|
B:U61
|
4.8
|
0.9
|
1.0
|
O5'
|
B:C39
|
4.9
|
80.6
|
1.0
|
C5
|
B:U61
|
5.0
|
94.2
|
1.0
|
|
Reference:
L.Huang,
A.Serganov,
D.J.Patel.
Structural Insights Into Ligand Recognition By A Sensing Domain of the Cooperative Glycine Riboswitch. Mol.Cell V. 40 774 2010.
ISSN: ISSN 1097-2765
PubMed: 21145485
DOI: 10.1016/J.MOLCEL.2010.11.026
Page generated: Thu Aug 15 08:45:09 2024
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